2-[methyl-[(2R)-1-[4-(pyridin-3-ylmethoxy)phenyl]propan-2-yl]amino]acetic acid

C18H22N2O3 — CID 122415289

IUPAC2-[methyl-[(2R)-1-[4-(pyridin-3-ylmethoxy)phenyl]propan-2-yl]amino]acetic acid
SMILESC[C@H](Cc1ccc(OCc2cccnc2)cc1)N(C)CC(=O)O
InChIInChI=1S/C18H22N2O3/c1-14(20(2)12-18(21)22)10-15-5-7-17(8-6-15)23-13-16-4-3-9-19-11-16/h3-9,11,14H,10,12-13H2,1-2H3,(H,21,22)/t14-/m1/s1
InChIKeySJPOYBSZDVZWRP-CQSZACIVSA-N
MW314.38 g/mol
LogP2.61
Rot. Bonds8

About 2-[methyl-[(2R)-1-[4-(pyridin-3-ylmethoxy)phenyl]propan-2-yl]amino]acetic acid

2-[methyl-[(2R)-1-[4-(pyridin-3-ylmethoxy)phenyl]propan-2-yl]amino]acetic acid (PubChem CID 122415289) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is 2-[methyl-[(2R)-1-[4-(pyridin-3-ylmethoxy)phenyl]propan-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[(2R)-1-[4-(pyridin-3-ylmethoxy)phenyl]propan-2-yl]amino]acetic acid
PubChem CID122415289
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name2-[methyl-[(2R)-1-[4-(pyridin-3-ylmethoxy)phenyl]propan-2-yl]amino]acetic acid
SMILESC[C@H](Cc1ccc(OCc2cccnc2)cc1)N(C)CC(=O)O
InChIInChI=1S/C18H22N2O3/c1-14(20(2)12-18(21)22)10-15-5-7-17(8-6-15)23-13-16-4-3-9-19-11-16/h3-9,11,14H,10,12-13H2,1-2H3,(H,21,22)/t14-/m1/s1
InChIKeySJPOYBSZDVZWRP-CQSZACIVSA-N
XLogP2.61
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[4-[(3-methoxyphenyl)methoxy]phenyl]propan-2-yl-methylamino]acetic acid;hydrochloride
CID 121482370
2-[1-[4-[(3,5-difluorophenyl)methoxy]phenyl]propan-2-yl-methylamino]acetic acid;hydrochloride
CID 121482377
3-[[4-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 91147542
1-[4-(pyridin-3-ylmethoxy)phenyl]ethanol
CID 43503736
3-(phenoxymethyl)pyridine;hydrochloride
CID 157085776
(1R)-1-[4-(pyridin-3-ylmethoxy)phenyl]propan-1-ol
CID 55189539
4-(pyridin-3-ylmethoxy)benzoate
CID 40981209
2-[4-(pyridin-3-ylmethoxy)phenoxy]acetamide
CID 47294468
(2S)-N-propan-2-yl-2-[4-(pyridin-3-ylmethoxy)phenoxy]propanamide
CID 94538513
2-[benzenesulfonyl(methyl)amino]-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide
CID 46463730
1-(2,2-difluoroethyl)-1-methyl-3-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]urea
CID 71879259
1-(2,2-difluoroethyl)-1-methyl-3-[(1S)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]urea
CID 97020773

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(2R)-1-[4-(pyridin-3-ylmethoxy)phenyl]propan-2-yl]amino]acetic acid?
The IUPAC name of 2-[methyl-[(2R)-1-[4-(pyridin-3-ylmethoxy)phenyl]propan-2-yl]amino]acetic acid (CID 122415289) is 2-[methyl-[(2R)-1-[4-(pyridin-3-ylmethoxy)phenyl]propan-2-yl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[(2R)-1-[4-(pyridin-3-ylmethoxy)phenyl]propan-2-yl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[(2R)-1-[4-(pyridin-3-ylmethoxy)phenyl]propan-2-yl]amino]acetic acid is C[C@H](Cc1ccc(OCc2cccnc2)cc1)N(C)CC(=O)O.
What is the InChIKey of 2-[methyl-[(2R)-1-[4-(pyridin-3-ylmethoxy)phenyl]propan-2-yl]amino]acetic acid?
The InChIKey is SJPOYBSZDVZWRP-CQSZACIVSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-14(20(2)12-18(21)22)10-15-5-7-17(8-6-15)23-13-16-4-3-9-19-11-16/h3-9,11,14H,10,12-13H2,1-2H3,(H,21,22)/t14-/m1/s1.
What are the key properties of 2-[methyl-[(2R)-1-[4-(pyridin-3-ylmethoxy)phenyl]propan-2-yl]amino]acetic acid?
2-[methyl-[(2R)-1-[4-(pyridin-3-ylmethoxy)phenyl]propan-2-yl]amino]acetic acid has a molecular weight of 314.38 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(2R)-1-[4-(pyridin-3-ylmethoxy)phenyl]propan-2-yl]amino]acetic acid is sourced from PubChem (CID 122415289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).